Wavelet scattering regression of quantum chemical energies

Multiscale Modeling and Simulation

Volumn 15, Issue 2, 2017, Pages 827-863

  Hirn, Matthew ^a   Mallat, Stéphane ^b   Poilvert, Nicolas ^c,d  

^a Michigan State University   (United States)

^b ECOLE NORMALE SUPÉRIEURE   (France)

^c PENNSYLVANIA STATE UNIVERSITY   (United States)

^d Laboratories Inc   (United States)

Author keywords

Convolutional network; Density functional theory; Invariant dictionary; Molecular energy; Multiscale; Nonlinear regression; Scattering; Vavelet

Indexed keywords

COMPUTATION THEORY; DATABASE SYSTEMS; DEFORMATION; ERRORS; MOLECULES; QUANTUM CHEMISTRY; REGRESSION ANALYSIS; SCATTERING; WAVELET TRANSFORMS;

CONVOLUTIONAL NETWORKS; MOLECULAR ENERGIES; MULTISCALE; NON-LINEAR REGRESSION; VAVELET;

DENSITY FUNCTIONAL THEORY;

EID: 85021794262     PISSN: 15403459     EISSN: 15403467     Source Type: Journal    
DOI: 10.1137/16M1075454     Document Type: Article

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